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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: P07437   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tubulin beta chain


(Homo sapiens)
BDBM50274078
PNG
(CHEMBL4128424)
Show SMILES Clc1ccc(cc1)C1SCC(=O)N1NC(=O)COc1ccc2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C26H19ClN2O5S/c27-18-8-6-17(7-9-18)26-29(24(31)15-35-26)28-23(30)14-33-19-10-11-20-21(16-4-2-1-3-5-16)13-25(32)34-22(20)12-19/h1-13,26H,14-15H2,(H,28,30)
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Article
PubMed
n/an/a 2.89E+3n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of tubulin beta polymerization in human MCF7 cells after 18 to 24 hrs by ELISA based spectrophotometric analysis


Bioorg Med Chem 26: 3474-3490 (2018)


Article DOI: 10.1016/j.bmc.2018.05.022
BindingDB Entry DOI: 10.7270/Q2J38W3R
More data for this
Ligand-Target Pair
Tubulin beta chain


(Homo sapiens)
BDBM50274079
PNG
(CHEMBL4127437)
Show SMILES COc1cc(cc(OC)c1OC)C1SCC(=O)N1NC(=O)COc1ccc2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C29H26N2O8S/c1-35-23-11-18(12-24(36-2)28(23)37-3)29-31(26(33)16-40-29)30-25(32)15-38-19-9-10-20-21(17-7-5-4-6-8-17)14-27(34)39-22(20)13-19/h4-14,29H,15-16H2,1-3H3,(H,30,32)
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Article
PubMed
n/an/a 6.13E+3n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of tubulin beta polymerization in human MCF7 cells after 18 to 24 hrs by ELISA based spectrophotometric analysis


Bioorg Med Chem 26: 3474-3490 (2018)


Article DOI: 10.1016/j.bmc.2018.05.022
BindingDB Entry DOI: 10.7270/Q2J38W3R
More data for this
Ligand-Target Pair
Tubulin beta chain


(Homo sapiens)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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KEGG
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PDB
Article
PubMed
n/an/a 6.93E+3n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of tubulin beta polymerization in human MCF7 cells after 18 to 24 hrs by ELISA based spectrophotometric analysis


Bioorg Med Chem 26: 3474-3490 (2018)


Article DOI: 10.1016/j.bmc.2018.05.022
BindingDB Entry DOI: 10.7270/Q2J38W3R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Homo sapiens)
BDBM50274080
PNG
(CHEMBL4129198)
Show SMILES Fc1ccc(cc1)C1SCC(=O)N1NC(=O)COc1ccc2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C26H19FN2O5S/c27-18-8-6-17(7-9-18)26-29(24(31)15-35-26)28-23(30)14-33-19-10-11-20-21(16-4-2-1-3-5-16)13-25(32)34-22(20)12-19/h1-13,26H,14-15H2,(H,28,30)
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UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a 9.37E+3n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of tubulin beta polymerization in human MCF7 cells after 18 to 24 hrs by ELISA based spectrophotometric analysis


Bioorg Med Chem 26: 3474-3490 (2018)


Article DOI: 10.1016/j.bmc.2018.05.022
BindingDB Entry DOI: 10.7270/Q2J38W3R
More data for this
Ligand-Target Pair